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Zr2Al is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to one Zr and four equivalent Al atoms. The Zr–Zr bond length is 2.95 Å. All Zr–Al bond lengths are 2.93 Å. Al is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Al atoms. Both Al–Al bond lengths are 2.69 Å.
ZrZn2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Zn atoms. All Zr–Zr bond lengths are 3.21 Å. All Zr–Zn bond lengths are 3.07 Å. Zn is bonded to six equivalent Zr and six equivalent Zn atoms to form a mixture of edge, face, and corner-sharing ZnZr6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.62 Å.
Zr3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Al atoms to form ZrZr8Al4 cuboctahedra that share corners with twelve equivalent ZrZr8Al4 cuboctahedra, edges with eight equivalent AlZr12 cuboctahedra, edges with sixteen equivalent ZrZr8Al4 cuboctahedra, faces with four equivalent AlZr12 cuboctahedra, and faces with fourteen equivalent ZrZr8Al4 cuboctahedra. All Zr–Zr bond lengths are 3.10 Å. All Zr–Al bond lengths are 3.10 Å. Al is bonded to twelve equivalent Zr atoms to form AlZr12 cuboctahedra that share corners with twelve equivalent AlZr12 cuboctahedra, edges with twenty-four equivalent ZrZr8Al4 cuboctahedra, faces with six equivalent AlZr12 cuboctahedra, and faces with twelve equivalent ZrZr8Al4 cuboctahedra.
Zr3(Cu2Ge)2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to seven Cu and four equivalent Ge atoms. There are a spread of Zr–Cu bond distances ranging from 2.65–3.06 Å. All Zr–Ge bond lengths are 2.80 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted trigonal planar geometry to three equivalent Zr and six equivalent Cu atoms. All Cu–Cu bond lengths are 2.54 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to six equivalent Zr, four Cu, and two equivalent Ge atoms. Both Cu–Cu bond lengths are 2.67 Å. Both Cu–Ge bond lengths are 2.51 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Cu atoms.
Zr3Hg crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent Zr and four equivalent Hg atoms. Both Zr–Zr bond lengths are 2.80 Å. All Zr–Hg bond lengths are 3.14 Å. Hg is bonded to twelve equivalent Zr atoms to form a mixture of face and edge-sharing HgZr12 cuboctahedra.
ZrFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Zr–Zr bond lengths are 3.05 Å. All Zr–Fe bond lengths are 2.92 Å. Fe is bonded to six equivalent Zr and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeZr6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.49 Å.
ZrCuSi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded to four equivalent Cu and eight Si atoms to form distorted ZrCu4Si8 cuboctahedra that share corners with four equivalent ZrCu4Si8 cuboctahedra, edges with eight equivalent ZrCu4Si8 cuboctahedra, edges with eight equivalent CuZr4Cu4Si4 cuboctahedra, faces with four equivalent ZrCu4Si8 cuboctahedra, and faces with four equivalent CuZr4Cu4Si4 cuboctahedra. All Zr–Cu bond lengths are 3.04 Å. There are four shorter (2.76 Å) and four longer (2.82 Å) Zr–Si bond lengths. Cu is bonded to four equivalent Zr, four equivalent Cu, and four equivalent Si atoms to form CuZr4Cu4Si4 cuboctahedra that share corners with four equivalent CuZr4Cu4Si4 cuboctahedra, edges with eight equivalent ZrCu4Si8 cuboctahedra, faces with four equivalent ZrCu4Si8 cuboctahedra, and faces with eight equivalent CuZr4Cu4Si4 cuboctahedra. All Cu–Cu bond lengths are 2.62 Å. All Cu–Si bond lengths are 2.42 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Cu atoms. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Si atoms. All Si–Si bond lengths are 2.62 Å.
Zr3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent In atoms to form distorted ZrZr8In4 cuboctahedra that share corners with twelve equivalent ZrZr8In4 cuboctahedra, edges with eight equivalent InZr12 cuboctahedra, edges with sixteen equivalent ZrZr8In4 cuboctahedra, faces with four equivalent InZr12 cuboctahedra, and faces with fourteen equivalent ZrZr8In4 cuboctahedra. All Zr–Zr bond lengths are 3.17 Å. All Zr–In bond lengths are 3.17 Å. In is bonded to twelve equivalent Zr atoms to form InZr12 cuboctahedra that share corners with twelve equivalent InZr12 cuboctahedra, edges with twenty-four equivalent ZrZr8In4 cuboctahedra, faces with six equivalent InZr12 cuboctahedra, and faces with twelve equivalent ZrZr8In4 cuboctahedra.
IrZrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are one shorter (2.91 Å) and four longer (2.94 Å) Zr–Ir bond lengths. There are two shorter (3.12 Å) and four longer (3.19 Å) Zr–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.72 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.74 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Zr and four Ir atoms.
ZrMn2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Mn atoms. All Zr–Zr bond lengths are 3.05 Å. All Zr–Mn bond lengths are 2.92 Å. Mn is bonded to six equivalent Zr and six equivalent Mn atoms to form a mixture of face, edge, and corner-sharing MnZr6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.49 Å.
ZrV2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent V atoms. All Zr–Zr bond lengths are 3.19 Å. All Zr–V bond lengths are 3.05 Å. V is bonded to six equivalent Zr and six equivalent V atoms to form a mixture of edge, corner, and face-sharing VZr6V6 cuboctahedra. All V–V bond lengths are 2.60 Å.
Zr6I12C is Tungsten structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three Zr6I12C clusters. Zr+2.67+ is bonded in a 5-coordinate geometry to one C4- and four I1- atoms. The Zr–C bond length is 2.27 Å. There are a spread of Zr–I bond distances ranging from 2.90–2.96 Å. C4- is bonded in an octahedral geometry to six equivalent Zr+2.67+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Zr+2.67+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Zr+2.67+ atoms.
ZrNi2Al5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded to twelve Al atoms to form ZrAl12 cuboctahedra that share corners with four equivalent ZrAl12 cuboctahedra, faces with four equivalent ZrAl12 cuboctahedra, and faces with four equivalent AlZr4Al8 cuboctahedra. There are four shorter (2.84 Å) and eight longer (2.95 Å) Zr–Al bond lengths. Ni is bonded in a body-centered cubic geometry to eight equivalent Al atoms. There are four shorter (2.42 Å) and four longer (2.60 Å) Ni–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Zr and eight Al atoms to form distorted AlZr4Al8 cuboctahedra that share corners with four equivalent AlZr4Al8 cuboctahedra, faces with four equivalent ZrAl12 cuboctahedra, and faces with four equivalent AlZr4Al8 cuboctahedra. All Al–Al bond lengths are 2.95 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Zr, four equivalent Ni, and two equivalent Al atoms. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Zr, four equivalent Ni, and two equivalent Al atoms. There are two shorter (2.42 Å) and two longer (2.60 Å) Al–Ni bond lengths. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Zr, four equivalent Ni, and two equivalent Al atoms. There are two shorter (2.42 Å) and two longer (2.60 Å) Al–Ni bond lengths.
Zr3Ag is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Ag atoms to form distorted ZrZr8Ag4 cuboctahedra that share corners with twelve equivalent ZrZr8Ag4 cuboctahedra, edges with eight equivalent AgZr12 cuboctahedra, edges with sixteen equivalent ZrZr8Ag4 cuboctahedra, faces with four equivalent AgZr12 cuboctahedra, and faces with fourteen equivalent ZrZr8Ag4 cuboctahedra. All Zr–Zr bond lengths are 3.12 Å. All Zr–Ag bond lengths are 3.12 Å. Ag is bonded to twelve equivalent Zr atoms to form AgZr12 cuboctahedra that share corners with twelve equivalent AgZr12 cuboctahedra, edges with twenty-four equivalent ZrZr8Ag4 cuboctahedra, faces with six equivalent AgZr12 cuboctahedra, and faces with twelve equivalent ZrZr8Ag4 cuboctahedra.
ZrCoSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Co and six equivalent Sn atoms. There are four shorter (2.84 Å) and one longer (2.85 Å) Zr–Co bond lengths. There are two shorter (3.01 Å) and four longer (3.09 Å) Zr–Sn bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Sn atoms. All Co–Sn bond lengths are 2.62 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Sn atoms. All Co–Sn bond lengths are 2.66 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Zr and four Co atoms.
ZrCuHg2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a distorted body-centered cubic geometry to four equivalent Cu and ten Hg atoms. All Zr–Cu bond lengths are 2.93 Å. There are four shorter (2.93 Å) and six longer (3.38 Å) Zr–Hg bond lengths. Cu is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Hg atoms. All Cu–Hg bond lengths are 2.93 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Zr and four equivalent Hg atoms to form distorted edge-sharing HgZr4Hg4 tetrahedra. All Hg–Hg bond lengths are 2.93 Å. In the second Hg site, Hg is bonded in a 4-coordinate geometry to six equivalent Zr, four equivalent Cu, and four equivalent Hg atoms.
Zr3Sn crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent Zr and four equivalent Sn atoms. Both Zr–Zr bond lengths are 2.83 Å. All Zr–Sn bond lengths are 3.16 Å. Sn is bonded to twelve equivalent Zr atoms to form a mixture of face and edge-sharing SnZr12 cuboctahedra.
Zr3V3C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr is bonded in a distorted bent 150 degrees geometry to six V and two equivalent C atoms. There are a spread of Zr–V bond distances ranging from 3.02–3.14 Å. Both Zr–C bond lengths are 2.31 Å. There are two inequivalent V sites. In the first V site, V is bonded to six equivalent Zr and six equivalent V atoms to form VZr6V6 cuboctahedra that share corners with six equivalent VZr6V6 cuboctahedra, edges with six equivalent CZr6 octahedra, and faces with fourteen VZr6V6 cuboctahedra. All V–V bond lengths are 2.61 Å. In the second V site, V is bonded to six equivalent Zr and six V atoms to form VZr6V6 cuboctahedra that share corners with nine VZr6V6 cuboctahedra, corners with three equivalent CZr6 octahedra, faces with thirteen VZr6V6 cuboctahedra, and faces with three equivalent CZr6 octahedra. The corner-sharing octahedral tilt angles are 45°. All V–V bond lengths are 2.64 Å. C is bonded to six equivalent Zr atoms to form CZr6 octahedra that share corners with six equivalent VZr6V6 cuboctahedra, corners with six equivalent CZr6 octahedra, edges with six equivalent VZr6V6 cuboctahedra, and faces with six equivalent VZr6V6 cuboctahedra. The corner-sharing octahedral tilt angles are 41°.